Mol:FL5FADGS0014
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
− | -1.0559 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0559 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0559 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0559 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3414 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3414 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3731 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3731 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3731 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3731 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3414 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3414 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0875 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0875 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8020 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8020 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8020 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8020 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0875 0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0875 0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0875 -1.7682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0875 -1.7682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7016 0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7016 0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4298 0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4298 0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1579 0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1579 0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1579 1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1579 1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4298 1.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4298 1.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7016 1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7016 1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3414 -1.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3414 -1.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8590 1.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8590 1.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6824 0.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6824 0.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3722 -1.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3722 -1.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2702 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2702 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7934 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7934 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1070 0.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1070 0.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4445 0.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4445 0.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9259 0.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9259 0.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5264 0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5264 0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8590 0.4755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8590 0.4755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5145 0.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5145 0.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4853 -0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4853 -0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1442 -2.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1442 -2.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8318 -3.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8318 -3.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6136 -2.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6136 -2.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8318 -1.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8318 -1.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1442 -1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1442 -1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3624 -1.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3624 -1.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4278 -1.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4278 -1.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1373 -3.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1373 -3.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6352 -3.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6352 -3.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0876 -2.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0876 -2.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0671 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0671 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7901 1.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7901 1.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4239 2.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4239 2.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9908 3.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9908 3.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
− | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
− | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
− | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
− | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
− | 35 21 1 0 0 0 0 | + | 35 21 1 0 0 0 0 |
− | 27 41 1 0 0 0 0 | + | 27 41 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 16 43 1 0 0 0 0 | + | 16 43 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 41 42 | + | M SAL 1 2 41 42 |
− | M SBL 1 1 45 | + | M SBL 1 1 45 |
− | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
− | M SBV 1 45 0.5407 -0.6357 | + | M SBV 1 45 0.5407 -0.6357 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 43 44 | + | M SAL 2 2 43 44 |
− | M SBL 2 1 48 | + | M SBL 2 1 48 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 48 0.0059 -0.6766 | + | M SBV 2 48 0.0059 -0.6766 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FADGS0014 | + | ID FL5FADGS0014 |
− | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
− | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
− | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
− | SMILES O(c(c5)cc(O3)c(c5O)C(C(=C(c(c4)cc(OC)c(O)c4)3)OC(C2O)OC(C)C(C(O)2)O)=O)C(O1)C(O)C(O)C(O)C(CO)1 | + | SMILES O(c(c5)cc(O3)c(c5O)C(C(=C(c(c4)cc(OC)c(O)c4)3)OC(C2O)OC(C)C(C(O)2)O)=O)C(O1)C(O)C(O)C(O)C(CO)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -1.0559 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3731 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3731 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -1.7682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7016 0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4298 0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4298 1.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7016 1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 -1.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 1.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6824 0.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 -1.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2702 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7934 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 0.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4445 0.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9259 0.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5264 0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 0.4755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5145 0.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4853 -0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1442 -2.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8318 -3.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6136 -2.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8318 -1.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1442 -1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3624 -1.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4278 -1.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1373 -3.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6352 -3.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0876 -2.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0671 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7901 1.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4239 2.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9908 3.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 20 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 31 1 1 0 0 0 36 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 35 21 1 0 0 0 0 27 41 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 16 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 45 M SMT 1 ^ CH2OH M SBV 1 45 0.5407 -0.6357 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 43 44 M SBL 2 1 48 M SMT 2 OCH3 M SBV 2 48 0.0059 -0.6766 S SKP 5 ID FL5FADGS0014 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES O(c(c5)cc(O3)c(c5O)C(C(=C(c(c4)cc(OC)c(O)c4)3)OC(C2O)OC(C)C(C(O)2)O)=O)C(O1)C(O)C(O)C(O)C(CO)1 M END